(6-hydroxy-1-methyl-3,4-dihydro-2H-isoquinolin-1-yl)carbamic acid

C11H14N2O3 — CID 18935215

IUPAC(6-hydroxy-1-methyl-3,4-dihydro-2H-isoquinolin-1-yl)carbamic acid
SMILESCC1(NC(=O)O)NCCc2cc(O)ccc21
InChIInChI=1S/C11H14N2O3/c1-11(13-10(15)16)9-3-2-8(14)6-7(9)4-5-12-11/h2-3,6,12-14H,4-5H2,1H3,(H,15,16)
InChIKeyRUSHHOONHQLZIZ-UHFFFAOYSA-N
MW222.24 g/mol
LogP0.98
Rot. Bonds1

About (6-hydroxy-1-methyl-3,4-dihydro-2H-isoquinolin-1-yl)carbamic acid

(6-hydroxy-1-methyl-3,4-dihydro-2H-isoquinolin-1-yl)carbamic acid (PubChem CID 18935215) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is (6-hydroxy-1-methyl-3,4-dihydro-2H-isoquinolin-1-yl)carbamic acid.

Molecular Properties

Compound Name(6-hydroxy-1-methyl-3,4-dihydro-2H-isoquinolin-1-yl)carbamic acid
PubChem CID18935215
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Name(6-hydroxy-1-methyl-3,4-dihydro-2H-isoquinolin-1-yl)carbamic acid
SMILESCC1(NC(=O)O)NCCc2cc(O)ccc21
InChIInChI=1S/C11H14N2O3/c1-11(13-10(15)16)9-3-2-8(14)6-7(9)4-5-12-11/h2-3,6,12-14H,4-5H2,1H3,(H,15,16)
InChIKeyRUSHHOONHQLZIZ-UHFFFAOYSA-N
XLogP0.98
TPSA81.59 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 50.98
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (6-hydroxy-1-methyl-3,4-dihydro-2H-isoquinolin-1-yl)carbamic acid?
The IUPAC name of (6-hydroxy-1-methyl-3,4-dihydro-2H-isoquinolin-1-yl)carbamic acid (CID 18935215) is (6-hydroxy-1-methyl-3,4-dihydro-2H-isoquinolin-1-yl)carbamic acid.
What is the SMILES notation for (6-hydroxy-1-methyl-3,4-dihydro-2H-isoquinolin-1-yl)carbamic acid?
The canonical SMILES for (6-hydroxy-1-methyl-3,4-dihydro-2H-isoquinolin-1-yl)carbamic acid is CC1(NC(=O)O)NCCc2cc(O)ccc21.
What is the InChIKey of (6-hydroxy-1-methyl-3,4-dihydro-2H-isoquinolin-1-yl)carbamic acid?
The InChIKey is RUSHHOONHQLZIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3/c1-11(13-10(15)16)9-3-2-8(14)6-7(9)4-5-12-11/h2-3,6,12-14H,4-5H2,1H3,(H,15,16).
What are the key properties of (6-hydroxy-1-methyl-3,4-dihydro-2H-isoquinolin-1-yl)carbamic acid?
(6-hydroxy-1-methyl-3,4-dihydro-2H-isoquinolin-1-yl)carbamic acid has a molecular weight of 222.24 g/mol, XLogP of 0.98, 1 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-hydroxy-1-methyl-3,4-dihydro-2H-isoquinolin-1-yl)carbamic acid is sourced from PubChem (CID 18935215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).